4-chloranyl-N-[2-(dimethylamino)-1-phenyl-ethyl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(dimethylamino)-1-phenyl-ethyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[2-(dimethylamino)-1-phenyl-ethyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[2-(dimethylamino)-1-phenylethyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[2-(dimethylamino)-1-phenylethyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[2-(dimethylamino)-1-phenyl-ethyl]-N-methyl-3-nitro-benzenesulfonamide Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=CC=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC(C1=CC=CC=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN3O4S/c1-19(2)12-17(13-7-5-4-6-8-13)20(3)26(24,25)14-9-10-15(18)16(11-14)21(22)23/h4-11,17H,12H2,1-3H3